N'-butyl-N'-phenylacetohydrazide

• ChemBase ID: 88412
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N(N(c1ccccc1)CCCC)C(=O)C
• Canonical SMILES: CCCCN(c1ccccc1)NC(=O)C
• InChI: InChI=1S/C12H18N2O/c1-3-4-10-14(13-11(2)15)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,13,15)
• InChIKey: UVDRKZAWSFZEFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-butyl-N'-phenylacetohydrazide
• IUPAC Traditional name: N'-butyl-N'-phenylacetohydrazide
• Synonyms: N'-Butyl-N'-phenylacetohydrazide

Database IDs

• CAS Number: 219828-75-8
• PubChem SID: 162075370
• PubChem CID: 11745811

CALCULATED PROPERTIES

• Acid pKa: 13.9573345
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.442611
• LogD (pH = 7.4): 2.4427283
• Log P: 2.44273
• Molar Refractivity: 71.8254 cm^3
• Polarizability: 23.722595 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant